(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C21H23ClN2O5/c1-13(2)24-21(26)23-9-14-3-5-15(6-4-14)20(25)28-11-17-8-18(22)7-16-10-27-12-29-19(16)17/h3-8,13H,9-12H2,1-2H3,(H2,23,24,26)